3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide

C9H15N5O2 — CID 106361251

IUPAC3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCCC2CO)n1
InChIInChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(16)11-6-3-1-2-5(6)4-15/h5-6,15H,1-4H2,(H,11,16)(H3,10,12,13,14)
InChIKeyPXMGYILYQPMLLB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.72
Rot. Bonds3

About 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 106361251) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID106361251
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCCC2CO)n1
InChIInChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(16)11-6-3-1-2-5(6)4-15/h5-6,15H,1-4H2,(H,11,16)(H3,10,12,13,14)
InChIKeyPXMGYILYQPMLLB-UHFFFAOYSA-N
XLogP-0.72
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
CID 113394753
N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794910
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113259272
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
3-amino-N-(1,1-dioxothian-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63923924
3-amino-1H-1,2,4-triazole-5-carboxamide
CID 18707494
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide (CID 106361251) is 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NC2CCCC2CO)n1.
What is the InChIKey of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is PXMGYILYQPMLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(16)11-6-3-1-2-5(6)4-15/h5-6,15H,1-4H2,(H,11,16)(H3,10,12,13,14).
What are the key properties of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.72, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 106361251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).